Geometry & MOs

Info

ID:	196408
PubChem CID:	78820559
Reduced:	Cl2N3O3C16H17 (1)
Stoich.:	A2B3C3D16E17 (1)
Weight, g/mol:	277.093663
ΔH_f, kcal/mol:	-39.66
Dipole, Da:	2.62
IP(EA), eV:	-8.55(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenoxy)ethyl]-2-methylsulfanylaniline

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)CN2C(=CC=N2)NC(=O)C3CC3(Cl)Cl

DOS

IR

Vibrations